QMMM

  Рет қаралды 987

CCPBioSim

CCPBioSim

Күн бұрын

Пікірлер: 1
@BioMedUSA
@BioMedUSA 2 жыл бұрын
Excellent, lucid presentation. Can we expect a step by step set up and walk through of the tutorial?
BigDFT Lectures
1:46:20
BigDFT Lectures
CCPBioSim
Рет қаралды 492
QM/MM Best Practice: Validation of DFT functionals in QM/MM simulations of enzymatic reactions
53:30
QM/MM Best Practice: Validation of DFT functionals in QM/MM simulations of enzymatic reactions
BioExcel CoE
Рет қаралды 1,4 М.
This dad wins Halloween! 🎃💀
01:00
This dad wins Halloween! 🎃💀
Justin Flom
Рет қаралды 15 МЛН
لقد نفذت خدعة إصبع قدم زائف شرسة على الجد! 🦶😂 #خدعة
00:35
لقد نفذت خدعة إصبع قدم زائف شرسة على الجد! 🦶😂 #خدعة
Holly Wolly Bow Arabic
Рет қаралды 68 МЛН
SISTER EXPOSED MY MAGIC @Whoispelagheya
00:45
SISTER EXPOSED MY MAGIC @Whoispelagheya
MasomkaMagic
Рет қаралды 14 МЛН
Flipping Robot vs Heavier And Heavier Objects
00:34
Flipping Robot vs Heavier And Heavier Objects
Mark Rober
Рет қаралды 59 МЛН
ProDy
54:34
ProDy
CCPBioSim
Рет қаралды 638
Introduction to QM/MM - Part 1
30:23
Introduction to QM/MM - Part 1
BioExcel CoE
Рет қаралды 804
AutoDock CrankPep
48:18
AutoDock CrankPep
CCPBioSim
Рет қаралды 1,3 М.
Lecture 2: QM/MM simulations
53:15
Lecture 2: QM/MM simulations
HPC2N
Рет қаралды 862
AI4Proteins: Multiscale simulation of biomolecular mechanisms & dynamics - Prof Adrian J Mulholland
49:20
AI4Proteins: Multiscale simulation of biomolecular mechanisms & dynamics - Prof Adrian J Mulholland
AI 4 Scientific Discovery
Рет қаралды 307
Crimes against Chemistry and how to avoid them!
56:05
Crimes against Chemistry and how to avoid them!
CCPBioSim
Рет қаралды 411
Computer Exercise: QM/MM MD and Umbrella Sampling
1:46:21
Computer Exercise: QM/MM MD and Umbrella Sampling
MoBioChem
Рет қаралды 1,5 М.
CompChem.07.01 Quantum Mechanical/Molecular Mechanical (QM/MM) Models Part I
15:39
CompChem.07.01 Quantum Mechanical/Molecular Mechanical (QM/MM) Models Part I
Chris Cramer
Рет қаралды 6 М.
AutoDock Specialized Docking Methods
32:50
AutoDock Specialized Docking Methods
CCPBioSim
Рет қаралды 139
Introduction to QM/MM - Part 1
33:46
Introduction to QM/MM - Part 1
BioExcel CoE
Рет қаралды 9 М.
This dad wins Halloween! 🎃💀
01:00
This dad wins Halloween! 🎃💀
Justin Flom
Рет қаралды 15 МЛН